| SpectraBase Spectrum ID |
4IZk0izoQ2W |
| Name |
2-(4-Chlorophenyl)-5H-6,7-dihydrocyclopenta[d]pyrimidin-4(3H)one |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C13H11ClN2O - which differs from the formula reported for the mass spectrum (C14H13ClN2O) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H13ClN2O |
| InChI |
InChI=1S/C13H11ClN2O/c14-9-6-4-8(5-7-9)12-15-11-3-1-2-10(11)13(17)16-12/h4-7H,1-3H2,(H,15,16,17) |
| InChIKey |
DEBMGALIVVKFNL-UHFFFAOYSA-N |
| Molecular Weight |
246.697 g/mol |
| SMILES |
N1C(=NC2=C(C1=O)CCC2)c1ccc(cc1)Cl |
| SPLASH |
splash10-03di-0090000000-233e63ed7790fd79e5f4 |
| Source of Spectrum |
J-58-417-5 |
| Wiley ID |
1263605 |
![2-(4-Chlorophenyl)-5H-6,7-dihydrocyclopenta[d]pyrimidin-4(3H)one](/api/spectrum/4IZk0izoQ2W/structure.png?h=300&w=458 "2-(4-Chlorophenyl)-5H-6,7-dihydrocyclopenta[d]pyrimidin-4(3H)one")
